BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1-acid glycoprotein 1' and Ligand = 'BDBM50111453'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-1-acid glycoprotein 1


(Homo sapiens (Human))
BDBM50111453
PNG
((4R,5S)-2-{[(3S,4S,5S)-2-{[(2S,3S)-5-acetamido-6-h...)
Show SMILES C[C@@H]1O[C@@H](OC2C(NC(C)=O)C(O)O[C@@H](CO)[C@H]2OC2OC(CO)[C@H](O)[C@H](OC3(C[C@@H](O)[C@H](NC(=O)NC(=O)CC4OC(CO)C(O)C(O)C4O)C(O3)[C@H](O)[C@H](O)CO)C([O-])=O)[C@@H]2O)C(O)C(O)C1O
Show InChI InChI=1S/C38H63N3O29/c1-9-20(50)25(55)27(57)34(63-9)68-31-19(39-10(2)46)33(59)65-16(8-45)29(31)67-35-28(58)32(24(54)15(7-44)66-35)70-38(36(60)61)4-11(47)18(30(69-38)21(51)12(48)5-42)41-37(62)40-17(49)3-13-22(52)26(56)23(53)14(6-43)64-13/h9,11-16,18-35,42-45,47-48,50-59H,3-8H2,1-2H3,(H,39,46)(H,60,61)(H2,40,41,49,62)/p-1/t9-,11+,12+,13?,14?,15?,16-,18-,19?,20?,21+,22?,23?,24-,25?,26?,27?,28-,29+,30?,31?,32-,33?,34-,35?,38?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEBI
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.00E+6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of E-selectin to human recombinant AGP (alpha-1 acid glycoprotein) in a E-selectin assay


J Med Chem 45: 1563-6 (2002)


Article DOI: 10.1021/jm010390f
BindingDB Entry DOI: 10.7270/Q27W6CZ4
More data for this
Ligand-Target Pair